Dear all I am doing molecular replacement with a model of sequence identity 42%. Have been trying numerous combinations of weighting in refmac of CCP4. However the geometry of the model is not being maintained. I am then trying manual fitting of the model in COOT. However when torsion restraints are applied in the refine/regularisation option the model comes out of the density. how would you tackle this please? i also have developed CIS peptides in places and have found that trying to revert these to trans is again causing the model to come out of the density severely. Does anyone think it's ok not to use the torsion restraints in COOT and simply use real space refine/regularisation as it is in COOT?
Cheers Brenda
